(6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone

C19H20O5S — CID 57086090

IUPAC(6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone
SMILESCC(C)c1cc2c(c(C(=O)c3ccc(S(C)(=O)=O)cc3)c1O)OCC2
InChIInChI=1S/C19H20O5S/c1-11(2)15-10-13-8-9-24-19(13)16(18(15)21)17(20)12-4-6-14(7-5-12)25(3,22)23/h4-7,10-11,21H,8-9H2,1-3H3
InChIKeyZLHSZLWGOBCFMT-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.09
Rot. Bonds4

About (6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone

(6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone (PubChem CID 57086090) has the molecular formula C19H20O5S and a molecular weight of 360.43 g/mol. Its IUPAC name is (6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone
PubChem CID57086090
Molecular FormulaC19H20O5S
Molecular Weight360.43 g/mol
Exact Mass360.10
IUPAC Name(6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone
SMILESCC(C)c1cc2c(c(C(=O)c3ccc(S(C)(=O)=O)cc3)c1O)OCC2
InChIInChI=1S/C19H20O5S/c1-11(2)15-10-13-8-9-24-19(13)16(18(15)21)17(20)12-4-6-14(7-5-12)25(3,22)23/h4-7,10-11,21H,8-9H2,1-3H3
InChIKeyZLHSZLWGOBCFMT-UHFFFAOYSA-N
XLogP3.09
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-hydroxy-7-(4-methylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid
CID 21268719
[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone
CID 11848011
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
2-[7-(4-chlorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl]acetic acid
CID 21268622
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045
2-[7-(4-chlorobenzoyl)-6-methoxy-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
CID 21268705
ethane;1,1,1-trifluoro-4-(5-methylsulfonyl-2,3-dihydro-1-benzofuran-7-yl)pentan-2-one
CID 143024445
2-[6-methyl-7-(4-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid
CID 21268669
2-[6-methyl-7-(thiophene-2-carbonyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
CID 21268727
2-(7-benzoyl-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 21268616
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone (CID 57086090) is (6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone is CC(C)c1cc2c(c(C(=O)c3ccc(S(C)(=O)=O)cc3)c1O)OCC2.
What is the InChIKey of (6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is ZLHSZLWGOBCFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5S/c1-11(2)15-10-13-8-9-24-19(13)16(18(15)21)17(20)12-4-6-14(7-5-12)25(3,22)23/h4-7,10-11,21H,8-9H2,1-3H3.
What are the key properties of (6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone?
(6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 360.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 57086090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).